methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate

C22H19NO4 — CID 17178291

IUPACmethyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C22H19NO4/c1-26-22(25)18-13-11-17(12-14-18)21(24)23-19-9-5-6-10-20(19)27-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,23,24)
InChIKeyXSMIRZBBNUQKLK-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.30
Rot. Bonds6

About methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate

methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate (PubChem CID 17178291) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
PubChem CID17178291
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Namemethyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C22H19NO4/c1-26-22(25)18-13-11-17(12-14-18)21(24)23-19-9-5-6-10-20(19)27-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,23,24)
InChIKeyXSMIRZBBNUQKLK-UHFFFAOYSA-N
XLogP4.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-phenylmethoxyphenyl)benzamide
CID 54791158
N-(2-phenylmethoxyphenyl)-4-(trifluoromethyl)benzamide
CID 141040203
3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid
CID 167899955
methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
CID 4946351
4-[(2-chlorophenoxy)methyl]-N-(2-methoxyphenyl)benzamide
CID 1223749
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
methyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate
CID 56576232
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
3-bromo-N-(2-phenylmethoxyphenyl)benzamide
CID 54790844
3-ethoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17093571
N-[(2-phenylmethoxyphenyl)carbamothioyl]-4-propan-2-ylbenzamide
CID 17177765
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate (CID 17178291) is methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate?
The InChIKey is XSMIRZBBNUQKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-26-22(25)18-13-11-17(12-14-18)21(24)23-19-9-5-6-10-20(19)27-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,23,24).
What are the key properties of methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate?
methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate has a molecular weight of 361.40 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate is sourced from PubChem (CID 17178291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).